Sugi Predict

Sugi Predict / Compounds / SCHEMBL27199355

SCHEMBL27199355

SCHEMBL27199355

O=C1NCCn2ncc([N+](=O)[O-])c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX5 P09917 2/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2523197 0.79 CYP1A2 (0.39) CYP1A2CYP3A4TSHRSMN1; SMN2HSD17B10
SCHEMBL18209656 0.73 CDC7 (0.36) CYP1A2CYP3A4TSHRSMN1; SMN2HSD17B10
SCHEMBL18198141 0.73 PARP1 (0.38) SMN1; SMN2KMT2ACDC7PARP1ALOX5
SCHEMBL16682624 0.73 CDC7 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL29777572 0.73 KDM4E (0.35) CYP1A2KMT2ALMNAPTGS1PTGS2
Hydrochloric Acid SCHEMBL18209674 0.72 CDC7 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL20400203 0.72 NLRP3 (0.38) CYP1A2KMT2ALMNAPTGS1PTGS2
SCHEMBL25427947 0.71 ALOX5 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL29777626 0.71 PKM (0.35) CYP1A2SMN1; SMN2KMT2ALMNAPTGS1
SCHEMBL18215199 0.70 ALOX5 (0.41) CDC7PARP1ALOX5ALOX5APFEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 — — US disclosed
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 — — EP disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 — — US disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 — — CN disclosed
WO-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 CYP1A2 3743/4885CYP3A4 4272/4885TSHR 1437/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 CYP1A2 3743/4885CYP3A4 4272/4885TSHR 1437/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.